4,4,4-Trifluorovaline

Base Information

Chemical Name:4,4,4-Trifluorovaline
CAS No.:16063-79-9
Molecular Formula:C₅H₈F₃NO₂
Molecular Weight:171.119
Hs Code.:2922499990
NSC Number:90439
DSSTox Substance ID:DTXSID20936352
Nikkaji Number:J3.118.434G
Mol file:16063-79-9.mol

Synonyms:4,4,4-trifluoro-DL-valine;4,4,4-trifluorovaline

Suppliers and Price of 4,4,4-Trifluorovaline

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Matrix Scientific
4,4,4-Trifluoro-DL-valine 97%
150mg
$ 225.00

Apolloscientific
4,4,4-Trifluoro-DL-valine 97%
250mg
$ 220.00

Apolloscientific
4,4,4-Trifluoro-DL-valine 97%
100mg
$ 115.00

American Custom Chemicals Corporation
4,4,4-TRIFLUORO-DL-VALINE 95.00%
250MG
$ 496.65

American Custom Chemicals Corporation
4,4,4-TRIFLUORO-DL-VALINE 95.00%
1G
$ 900.57

AK Scientific
4,4,4-Trifluoro-DL-valine
250mg
$ 691.00

Activate Scientific
4,4,4-Trifluoro-DL-valine 95%
1 g
$ 730.00

Acrotein
4,4,4-Trifluoro-DL-valine 97%
0.5g
$ 375.83

Total 52 raw suppliers

Chemical Property of 4,4,4-Trifluorovaline

Chemical Property:

Vapor Pressure:0.203mmHg at 25°C
Melting Point:245-248 °C
Refractive Index:1.4
Boiling Point:193.3 °C at 760 mmHg
PKA:1.95±0.10(Predicted)
Flash Point:70.7 °C
PSA：63.32000
Density:1.352 g/cm³
LogP:1.29700
Storage Temp.:Keep in dark place,Inert atmosphere,Room temperature
XLogP3:-1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:171.05071298
Heavy Atom Count:11
Complexity:156

Purity/Quality:

99% ^*data from raw suppliers

4,4,4-Trifluoro-DL-valine 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi,T
Hazard Codes:Xi,T

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(C(=O)O)N)C(F)(F)F

Technology Process of 4,4,4-Trifluorovaline

There total 6 articles about 4,4,4-Trifluorovaline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 78.0%

: 96563-55-2
N-acetyl-4,4,4-trifluorovaline

: 16063-79-9
2-amino-4,4,4-trifluoro-3-methylbutanoic acid

Guidance literature:: With hydrogenchloride; for 20h; Heating;
DOI:10.1021/jo00280a014

Reference yield:

: 93404-33-2
3-trifluoromethyl-2-butenoic acid

: 16063-79-9
2-amino-4,4,4-trifluoro-3-methylbutanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: H₂ / Pd-C

2: (i) Br₂, PCl₃, (ii) /BRN= 1718733/

3: NaN₃

4: (i) H₂, Pd-C, (ii) HCl

With sodium azide; hydrogen; palladium on activated charcoal;
DOI:10.1021/jm00333a034

Reference yield:

: 348-75-4,162878-31-1
(-)-3-trifluoromethylbutanoic acid

: 16063-79-9
2-amino-4,4,4-trifluoro-3-methylbutanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: (i) Br₂, PCl₃, (ii) /BRN= 1718733/

2: NaN₃

3: (i) H₂, Pd-C, (ii) HCl

With sodium azide;
DOI:10.1021/jm00333a034